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39137-05-8 | 3-Heptyl-2-thioxo-1,3-thiazolidin-4-one
CAS No: 39137-05-8 Catalog No: AG01EAGM MDL No:
Product Description
Catalog Number:
AG01EAGM
Chemical Name:
3-Heptyl-2-thioxo-1,3-thiazolidin-4-one
CAS Number:
39137-05-8
IUPAC Name:
3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C10H17NOS2/c1-2-3-4-5-6-7-11-9(12)8-14-10(11)13/h2-8H2,1H3
InChI Key:
RVEZMHNHYRWSBL-UHFFFAOYSA-N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.372g/mol
Monoisotopic Mass:
231.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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